dimethyl (1R,2R,5S)-4-[bis(methylsulfanyl)methyl]-3-cyano-5-oxidanyl-5-phenyl-cyclopent-3-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2R,5S)-4-[bis(methylsulfanyl)methyl]-3-cyano-5-oxidanyl-5-phenyl-cyclopent-3-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2R,5S)-4-[bis(methylsulfanyl)methyl]-3-cyano-5-hydroxy-5-phenyl-cyclopent-3-ene-1,2-dicarboxylate CAS Name: (1R,2R,5S)-4-[bis(methylthio)methyl]-3-cyano-5-hydroxy-5-phenylcyclopent-3-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2R,5S)-4-[bis(methylsulfanyl)methyl]-3-cyano-5-hydroxy-5-phenylcyclopent-3-ene-1,2-dicarboxylate Traditional Name: (1R,2R,5S)-4-[bis(methylthio)methyl]-3-cyano-5-hydroxy-5-phenyl-cyclopent-3-ene-1,2-dicarboxylic acid dimethyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(=C1C#N)C(SC)SC)(C2=CC=CC=C2)O)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1[C@H]([C@@](C(=C1C#N)C(SC)SC)(C2=CC=CC=C2)O)C(=O)OC

InChI

InChI=1S/C19H21NO5S2/c1-24-16(21)13-12(10-20)14(18(26-3)27-4)19(23,15(13)17(22)25-2)11-8-6-5-7-9-11/h5-9,13,15,18,23H,1-4H3/t13-,15-,19-/m0/s1